2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone

C26H21FO7 — CID 141227960

IUPAC2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@H](F)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-24-25(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)34-26(24,33)22(31)18-14-8-3-9-15-18/h1-15,20,23-24,29,32-33H/t20?,23-,24-,25-,26-/m1/s1
InChIKeyFEMMPDSTESGIQR-OZSRYJFUSA-N
MW464.45 g/mol
LogP2.15
Rot. Bonds7

About 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone

2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone (PubChem CID 141227960) has the molecular formula C26H21FO7 and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
PubChem CID141227960
Molecular FormulaC26H21FO7
Molecular Weight464.45 g/mol
Exact Mass464.13
IUPAC Name2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@H](F)[C@@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C26H21FO7/c27-24-25(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)34-26(24,33)22(31)18-14-8-3-9-15-18/h1-15,20,23-24,29,32-33H/t20?,23-,24-,25-,26-/m1/s1
InChIKeyFEMMPDSTESGIQR-OZSRYJFUSA-N
XLogP2.15
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone (CID 141227960) is 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)[C@H]1O[C@](O)(C(=O)c2ccccc2)[C@H](F)[C@@]1(O)C(=O)c1ccccc1.
What is the InChIKey of 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
The InChIKey is FEMMPDSTESGIQR-OZSRYJFUSA-N. The full InChI is InChI=1S/C26H21FO7/c27-24-25(32,21(30)17-12-6-2-7-13-17)23(20(29)19(28)16-10-4-1-5-11-16)34-26(24,33)22(31)18-14-8-3-9-15-18/h1-15,20,23-24,29,32-33H/t20?,23-,24-,25-,26-/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone?
2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone has a molecular weight of 464.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5R)-3,5-dibenzoyl-4-fluoro-3,5-dihydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 141227960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).